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TitleCrystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 60, Page 1760-1766, Year 2016
Publish dateOct 22, 2015 (structure data deposition date)
AuthorsNguyen, N.Q. / Krishnan, N.P. / Rojas, L.J. / Prati, F. / Caselli, E. / Romagnoli, C. / Bonomo, R.A. / van den Akker, F.
External linksAntimicrob. Agents Chemother. / PubMed:26729491
MethodsX-ray diffraction
Resolution1.54 - 1.87 Å
Structure data

PDB-5ee8:
Crystal structure of S02030 boronic acid inhibitor complexed to SHV-1 beta-lactamase
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-5eec:
Crystal structure of KPC-2 beta-lactamase in complex with the S02030 boronic acid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

Chemicals

ChemComp-ZXM:
1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid

ChemComp-MA4:
CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / transition state inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex

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